| Properties | Image |
|---|
| MNX_ID | MNXM193236 |
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| reference | slm:000439292 |
| formula | C53H87O22P4 |
| global charge | -7 |
| mol weight | 1200.153 |
| InChIKey | VEGQIRCGROFXFA-XVSXNRHESA-G |
| InChI | InChI=1S/C53H94O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-46(54)69-43-45(71-47(55)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2)44-70-79(67,68)75-50-48(56)51(72-76(58,59)60)53(74-78(64,65)66)52(49(50)57)73-77(61,62)63/h5,7,11,13-14,16-17,19,21-22,24-25,45,48-53,56-57H,3-4,6,8-10,12,15,18,20,23,26-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/p-7/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-/t45-,48+,49+,50-,51+,52-,53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H94O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-46(54)69-43-45(71-47(55)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2)44-70-79(67,68)75-50-48(56)51(72-76(58,59)60)53(74-78(64,65)66)52(49(50)57)73-77(61,62)63/h5,7,11,13-14,16-17,19,21-22,24-25,45,48-53,56-57H,3-4,6,8-10,12,15,18,20,23,26-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-/t45-,48+,49+,50-,51+,52-,53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:69][CH2:43][C@H:45]([CH2:44][O:70][P:79]([OH:67])(=[O:68])[O:75][C@@H:50]1[C@H:48]([OH:56])[C@H:51]([O:72][P:76]([OH:58])([OH:59])=[O:60])[C@@H:53]([O:74][P:78]([OH:64])([OH:65])=[O:66])[C@H:52]([O:73][P:77]([OH:61])([OH:62])=[O:63])[C@H:49]1[OH:57])[O:71][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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